SCHEMBL26222770

SCHEMBL26222770

Cn1cc(Br)cc(Nc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)nc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 2/20 0.51
▸ GRM1 Q13255 10/20 0.45
▸ GRM5 P41594 9/20 0.45
▸ BRD4 O60885 1/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ PDK4 Q16654 1/20 0.41
▸ CDK9 P50750 2/20 0.40
▸ CCNT1 O60563 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30512305 0.83 BRD4 (0.46) WNT3AGRM1GRM5BRD4NAMPT
SCHEMBL14926013 0.83 BRD4 (0.46) WNT3AGRM1GRM5BRD4NAMPT
SCHEMBL31039781 0.79 GRM1 (0.55) WNT3AGRM1GRM5NAMPTPDK4
SCHEMBL976835 0.79 GRM1 (0.55) WNT3AGRM1GRM5NAMPTPDK4
SCHEMBL29746802 0.79 GRM1 (0.55) WNT3AGRM1GRM5NAMPTPDK4
SCHEMBL26222767 0.77 BTK (0.39) WNT3ANAMPT
SCHEMBL10265021 0.76 ESR2 (0.53) NAMPT
SCHEMBL26222768 0.75 WNT3A (0.41) WNT3ABRD4CDK9
SCHEMBL20266499 0.75 GRM1 (0.64) WNT3AGRM1GRM5NAMPTPDK4
SCHEMBL903903 0.74 GRM1 (0.56) WNT3AGRM1GRM5NAMPTPDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 WNT3A 2959/4885GRM1 2619/4885GRM5 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback